Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6760415 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2D6KDM4ELMNADRD2 | |
| SCHEMBL6057110 | 0.98 | KDM4E (0.41) | CYP3A4CYP2D6KDM4ELMNADRD2 | |
| SCHEMBL28289412 | 0.90 | CYP3A4 (0.41) | CYP3A4CYP2D6KDM4ELMNADRD2 | |
| SCHEMBL28163615 | 0.85 | KCNH2 (0.38) | CYP3A4CYP2D6DRD2SLC6A2HTR2A | |
| SCHEMBL27837642 | 0.81 | HTR2A (0.35) | CYP3A4CYP2D6KDM4ELMNADRD2 | |
| SCHEMBL11127960 | 0.81 | KDM4E (0.41) | CYP3A4CYP2D6KDM4ELMNADRD2 | |
| SCHEMBL30006748 | 0.81 | PTPN1 (0.44) | PTPN1NR1H2NR1H3 | |
| SCHEMBL28907323 | 0.80 | KDM4E (0.37) | CYP3A4CYP2D6KDM4ELMNADRD2 | |
| SCHEMBL28564003 | 0.79 | KDM4E (0.41) | CYP3A4CYP2D6KDM4ELMNADRD2 | |
| SCHEMBL29274353 | 0.79 | CYP2D6 (0.43) | CYP3A4CYP2D6KDM4ELMNADRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960411-A1 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007070040-A1 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |